ChemSpider 2D Image | (1S,2S,3aS,6aS,7S,7aS)-3a,5,5,7a-Tetramethyl-2,3,3a,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene-1,2,7-triol | C15H24O3

(1S,2S,3aS,6aS,7S,7aS)-3a,5,5,7a-Tetramethyl-2,3,3a,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene-1,2,7-triol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID78442337

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2S,3aS,6aS,7S,7aS)-3a,5,5,7a-Tetramethyl-2,3,3a,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-1,2,7-triol [German] [ACD/IUPAC Name]
(1S,2S,3aS,6aS,7S,7aS)-3a,5,5,7a-Tetramethyl-2,3,3a,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene-1,2,7-triol [ACD/IUPAC Name]
(1S,2S,3aS,6aS,7S,7aS)-3a,5,5,7a-Tétraméthyl-2,3,3a,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalène-1,2,7-triol [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]pentalene-1,2,7-triol, 2,3,3a,5,6,6a,7,7a-octahydro-3a,5,5,7a-tetramethyl-, (1S,2S,3aS,6aS,7S,7aS)- [ACD/Index Name]
Antrodin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 367.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 169.2±22.5 °C
Index of Refraction: 1.580
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.72
ACD/KOC (pH 5.5): 458.93
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.72
ACD/KOC (pH 7.4): 458.93
Polar Surface Area: 61 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 209.0±5.0 cm3

Click to predict properties on the Chemicalize site


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